methyl 3-(2-phenylethynyl)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-(2-phenylethynyl)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-(2-phenylethynyl)benzothiophene-2-carboxylate CAS Name: 3-(2-phenylethynyl)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-phenylethynyl)-1-benzothiophene-2-carboxylate Traditional Name: 3-(2-phenylethynyl)benzothiophene-2-carboxylic acid methyl ester Formula: C18H12O2S MolecularWeight: 292.35168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)C#CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)C#CC3=CC=CC=C3

InChI

InChI=1S/C18H12O2S/c1-20-18(19)17-15(12-11-13-7-3-2-4-8-13)14-9-5-6-10-16(14)21-17/h2-10H,1H3